SCHEMBL14847701

SCHEMBL14847701

Bc1cccc(Cn2c(=N)n(CCCOc3ccc(F)cc3)c3ccccc32)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.63
LMNA P02545 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.43
SLC5A2 P31639 2/20 0.42
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13331738 0.91 SLC5A2 (0.51) TP53LMNASMN1; SMN2MITFALDH1A1
SCHEMBL2493076 0.87 TP53 (0.73) TP53LMNASMN1; SMN2MITFALDH1A1
SCHEMBL2497313 0.87 TP53 (0.63) TP53LMNASMN1; SMN2MITFALDH1A1
SCHEMBL2497214 0.87 TP53 (0.63) TP53LMNASMN1; SMN2MITFALDH1A1
SCHEMBL2472980 0.83 TP53 (0.58) TP53LMNASMN1; SMN2MITFALDH1A1
SCHEMBL2495532 0.83 TP53 (0.70) TP53LMNASMN1; SMN2MITFALDH1A1
SCHEMBL2499433 0.83 TP53 (0.63) TP53LMNASMN1; SMN2MITFALDH1A1
SCHEMBL2472842 0.81 TP53 (0.55) TP53ALDH1A1SLC5A2
SCHEMBL2472264 0.81 TP53 (0.58) TP53LMNASMN1; SMN2MITFALDH1A1
SCHEMBL2495408 0.81 TP53 (0.67) TP53LMNASMN1; SMN2MITFALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373629-B1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INT (DE) 2013-04-10 EP disclosed